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Commit 20066332 authored by Gabriel Studer's avatar Gabriel Studer
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correctly parse dialect input parameter

parent 8a4bc5f0
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......@@ -75,6 +75,13 @@ CompoundPtr find_compound(CompoundLibPtr comp_lib,
return comp_lib->FindCompound(tlc, tr_dialect(dialect));
}
bool is_residue_complete(CompoundLibPtr comp_lib,
const ost::mol::ResidueHandle& res,
bool check_hydrogens, const String& dialect)
{
return comp_lib->IsResidueComplete(res, check_hydrogens, tr_dialect(dialect));
}
String get_creation_date(CompoundLibPtr comp_lib)
{
return comp_lib->GetCreationDate().ToString();
......@@ -135,9 +142,9 @@ void export_Compound() {
.def("Load", &CompoundLib::Load, arg("readonly")=true).staticmethod("Load")
.def("FindCompound", &find_compound,
(arg("tlc"), arg("dialect")="PDB"))
.def("IsResidueComplete",&CompoundLib::IsResidueComplete, (arg("residue"),
arg("check_hydrogens")=false,
arg("dialect")="PDB"))
.def("IsResidueComplete", &is_residue_complete, (arg("residue"),
arg("check_hydrogens")=false,
arg("dialect")="PDB"))
.def("ClearCache", &CompoundLib::ClearCache)
.def("GetOSTVersionUsed", &CompoundLib::GetOSTVersionUsed)
.def("GetCreationDate", &get_creation_date, (arg("comp_lib")))
......
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